2-[(5-phenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-imidazo[1,2-a]pyrimidin-4-ium

Systemtic Name: 2-[(5-phenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-imidazo[1,2-a]pyrimidin-4-ium Openeye Name: 2-[(5-phenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-imidazo[1,2-a]pyrimidin-4-ium CAS Name: 2-[[(5-phenyl-1,2,4-triazin-3-yl)thio]methyl]-1H-imidazo[1,2-a]pyrimidin-4-ium IUPAC Name: 2-[(5-phenyl-1,2,4-triazin-3-yl)sulfanylmethyl]-1H-imidazo[1,2-a]pyrimidin-4-ium Traditional Name: 2-[[(5-phenyl-1,2,4-triazin-3-yl)thio]methyl]-1H-imidazo[1,2-a]pyrimidin-4-ium Formula: C16H13N6S+ MolecularWeight: 321.37962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=NC(=N2)SCC3=C[N+]4=CC=CN=C4N3

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=NC(=N2)SCC3=C[N+]4=CC=CN=C4N3

InChI

InChI=1S/C16H12N6S/c1-2-5-12(6-3-1)14-9-18-21-16(20-14)23-11-13-10-22-8-4-7-17-15(22)19-13/h1-10H,11H2/p+1